Compound Identification
SMILES
CCC1=C2C=C(O)C=CC2=NC2=C1CN1C2=CC(=C(CO)C1=O)[C@@](O)(CC)C(O)=O
InChIKey
InChIKey=IRKZFHZUIBLGKU-QFIPXVFZSA-N
Formula
C22H22N2O6
Mass
410.426
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Camptothecins
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Camptothecins
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Camptothecins
Alternative Parents
Hydroxyquinolines Pyridinones 1-hydroxy-2-unsubstituted benzenoids Alpha hydroxy acids and derivatives Tertiary alcohols Heteroaromatic compounds Lactams Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Carbonyl compounds Organonitrogen compounds Aromatic alcohols Organopnictogen compounds Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Camptothecin - Hydroxyquinoline - Quinoline - 1-hydroxy-2-unsubstituted benzenoid - Pyridinone - Alpha-hydroxy acid - Hydroxy acid - Pyridine - Benzenoid - Heteroaromatic compound - Tertiary alcohol - Lactam - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organonitrogen compound - Carbonyl group - Aromatic alcohol - Organic oxygen compound - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Primary alcohol - Organopnictogen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as camptothecins. These are heterocyclic compounds comprising a planar pentacyclic ring structure, that includes a pyrrolo[3,4-beta]-quinoline moiety (rings A, B and C), conjugated pyridone moiety (ring D) and one chiral center at position 20 within the alpha-hydroxy lactone ring with (S) configuration (the E-ring).
External Descriptors
Not available